CAS RN: 137786-86-8
CAS Name: 5-[[4-[(6-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[(6-hydroxy-2-methyl-chroman-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[(6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[4-[(2-methyl-6-oxidanyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C21H21NO5S
MOLECULAR WEIGHT: 399.46014
SMILES: CC1(CCC2=C(O1)C=CC(=C2)O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
Structure:
CAS RN: 137734-07-7
CAS Name: (2S)-2-[[[(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]ox
OPENEYE Name: methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-[[(
IUPAC Name: methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-
SYSTEMATIC NAME: methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydr
MOLECULAR FORMULA: C72H95N3O19
MOLECULAR WEIGHT: 1306.5334
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)OC)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@
Structure:
CAS RN: 137731-28-3
CAS Name: 5-(methylthio)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-methylsulfanyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-methylsulfanyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-methylsulfanyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C17H14N4S
MOLECULAR WEIGHT: 306.38486
SMILES: CSC1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1
Structure:
CAS RN: 137731-27-2
CAS Name: 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylthio)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylsulfanyl)acetate
IUPAC Name: ethyl 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylsulfanyl)acetate
SYSTEMATIC NAME: ethyl 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylsulfanyl)ethanoate
MOLECULAR FORMULA: C14H14N4O2S
MOLECULAR WEIGHT: 302.35156
SMILES: CCOC(=O)CSC1=NC2=CC=CC=C2N3C=NN=C3C1
Structure:
CAS RN: 137731-26-1
CAS Name: 5-(propylthio)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-propylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-propylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-propylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: CCCSC1=NC2=CC=CC=C2N3C=NN=C3C1
Structure:
CAS RN: 137731-23-8
CAS Name: 4-(1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
IUPAC Name: ethyl 4-(1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C23H24N6O2
MOLECULAR WEIGHT: 416.47566
SMILES: CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C2
Structure:
CAS RN: 137731-22-7
CAS Name: 5-(4-methyl-1-piperazinyl)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-(4-methylpiperazin-1-yl)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-(4-methylpiperazin-1-yl)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-(4-methylpiperazin-1-yl)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C21H22N6
MOLECULAR WEIGHT: 358.43958
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C2
Structure:
CAS RN: 137731-21-6
CAS Name: N-cyclopropyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
OPENEYE Name: N-cyclopropyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
IUPAC Name: N-cyclopropyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SYSTEMATIC NAME: N-cyclopropyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
MOLECULAR FORMULA: C19H17N5
MOLECULAR WEIGHT: 315.37178
SMILES: C1CC1NC2=NC3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C2
Structure:
CAS RN: 137731-20-5
CAS Name: N-ethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
OPENEYE Name: N-ethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
IUPAC Name: N-ethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SYSTEMATIC NAME: N-ethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
MOLECULAR FORMULA: C18H17N5
MOLECULAR WEIGHT: 303.36108
SMILES: CCNC1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1
Structure:
CAS RN: 137731-19-2
CAS Name: N-methyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
OPENEYE Name: N-methyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
IUPAC Name: N-methyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SYSTEMATIC NAME: N-methyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
MOLECULAR FORMULA: C17H15N5
MOLECULAR WEIGHT: 289.3345
SMILES: CNC1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1
Structure:
CAS RN: 137731-18-1
CAS Name: 4-(1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
IUPAC Name: ethyl 4-(1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C18H22N6O2
MOLECULAR WEIGHT: 354.40628
SMILES: CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N4C(=NN=C4C2)C
Structure:
CAS RN: 137731-17-0
CAS Name: 1-methyl-5-(4-methyl-1-piperazinyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 1-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 1-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 1-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C16H20N6
MOLECULAR WEIGHT: 296.3702
SMILES: CC1=NN=C2N1C3=CC=CC=C3N=C(C2)N4CCN(CC4)C
Structure:
CAS RN: 137731-15-8
CAS Name: 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
IUPAC Name: ethyl 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C17H20N6O2
MOLECULAR WEIGHT: 340.3797
SMILES: CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N4C=NN=C4C2
Structure:
CAS RN: 137731-14-7
CAS Name: 5-(4-methyl-1-piperazinyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C15H18N6
MOLECULAR WEIGHT: 282.34362
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N4C=NN=C4C2
Structure:
CAS RN: 137731-13-6
CAS Name: 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
OPENEYE Name: 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
IUPAC Name: 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
SYSTEMATIC NAME: 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
MOLECULAR FORMULA: C14H15N5O
MOLECULAR WEIGHT: 269.3018
SMILES: C1COCCN1C2=NC3=CC=CC=C3N4C=NN=C4C2
Structure:
CAS RN: 137731-12-5
CAS Name: 5-(4-phenyl-1-piperidinyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-(4-phenyl-1-piperidyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-(4-phenylpiperidin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-(4-phenylpiperidin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C21H21N5
MOLECULAR WEIGHT: 343.42494
SMILES: C1CN(CCC1C2=CC=CC=C2)C3=NC4=CC=CC=C4N5C=NN=C5C3
Structure:
CAS RN: 137731-11-4
CAS Name: 5-(1-piperidinyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-(1-piperidyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C15H17N5
MOLECULAR WEIGHT: 267.32898
SMILES: C1CCN(CC1)C2=NC3=CC=CC=C3N4C=NN=C4C2
Structure:
CAS RN: 137731-10-3
CAS Name: N,N-bis(prop-2-enyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
OPENEYE Name: N,N-diallyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
IUPAC Name: N,N-bis(prop-2-enyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SYSTEMATIC NAME: N,N-bis(prop-2-enyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
MOLECULAR FORMULA: C16H17N5
MOLECULAR WEIGHT: 279.33968
SMILES: C=CCN(CC=C)C1=NC2=CC=CC=C2N3C=NN=C3C1
Structure:
CAS RN: 137731-09-0
CAS Name: N,N-dibutyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
OPENEYE Name: N,N-dibutyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
IUPAC Name: N,N-dibutyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SYSTEMATIC NAME: N,N-dibutyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
MOLECULAR FORMULA: C18H25N5
MOLECULAR WEIGHT: 311.4246
SMILES: CCCCN(CCCC)C1=NC2=CC=CC=C2N3C=NN=C3C1
Structure:
CAS RN: 137731-08-9
CAS Name: 5-(methylthio)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 5-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 5-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 5-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C11H10N4S
MOLECULAR WEIGHT: 230.2889
SMILES: CSC1=NC2=CC=CC=C2N3C=NN=C3C1
Structure:
CAS RN: 137638-86-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H36BrNO2
MOLECULAR WEIGHT: 582.56984
SMILES: CC1C2CC3=C(C1(CCN2CC4=CC=CC=C4)C)C=C(C=C3)OC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6.Br
Structure:
CAS RN: 137638-85-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H31ClN2O4
MOLECULAR WEIGHT: 470.98834
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl
Structure:
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